N-[(2-fluorophenyl)methyl]-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine

C14H19FN4 — CID 66119609

IUPACN-[(2-fluorophenyl)methyl]-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
SMILESCN(Cc1ccccc1F)C(CN)c1cncn1C
InChIInChI=1S/C14H19FN4/c1-18(9-11-5-3-4-6-12(11)15)13(7-16)14-8-17-10-19(14)2/h3-6,8,10,13H,7,9,16H2,1-2H3
InChIKeyKDPWOGAILLXUEV-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.69
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine

N-[(2-fluorophenyl)methyl]-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine (PubChem CID 66119609) has the molecular formula C14H19FN4 and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
PubChem CID66119609
Molecular FormulaC14H19FN4
Molecular Weight262.33 g/mol
Exact Mass262.16
IUPAC NameN-[(2-fluorophenyl)methyl]-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
SMILESCN(Cc1ccccc1F)C(CN)c1cncn1C
InChIInChI=1S/C14H19FN4/c1-18(9-11-5-3-4-6-12(11)15)13(7-16)14-8-17-10-19(14)2/h3-6,8,10,13H,7,9,16H2,1-2H3
InChIKeyKDPWOGAILLXUEV-UHFFFAOYSA-N
XLogP1.69
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-bromophenyl)methyl]-N-methyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
CID 66163608
N,N-dimethyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
CID 66118363
N-(4-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
CID 66118371
1-(5-chloro-2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 114842940
1-(3-bromofuran-2-yl)-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 106885623
1-(3-bromo-4-methylphenyl)-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 105404788
methyl (2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-2-(3-methylimidazol-4-yl)acetate
CID 99791300
1-(3-cyclopropylimidazol-4-yl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine
CID 66140814
[2-(2,3-difluorophenyl)-1-(3-methylimidazol-4-yl)ethyl]hydrazine
CID 105264766
N-methyl-N-[(3-methylphenyl)methyl]-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66130799
N'-[(2-fluorophenyl)methyl]-N'-methyl-2-phenylpropane-1,3-diamine
CID 43575716
N'-[2-amino-1-(3-methylimidazol-4-yl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991893

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine (CID 66119609) is N-[(2-fluorophenyl)methyl]-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine is CN(Cc1ccccc1F)C(CN)c1cncn1C.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine?
The InChIKey is KDPWOGAILLXUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4/c1-18(9-11-5-3-4-6-12(11)15)13(7-16)14-8-17-10-19(14)2/h3-6,8,10,13H,7,9,16H2,1-2H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine?
N-[(2-fluorophenyl)methyl]-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine has a molecular weight of 262.33 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-methyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 66119609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).